N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide

C14H15N3O — CID 46480468

IUPACN-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccncc2)n1
InChIInChI=1S/C14H15N3O/c1-11-3-2-4-13(16-11)17-14(18)6-5-12-7-9-15-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,16,17,18)
InChIKeyXMSOQNYKMNFNLZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.36
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide

N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide (PubChem CID 46480468) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
PubChem CID46480468
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccncc2)n1
InChIInChI=1S/C14H15N3O/c1-11-3-2-4-13(16-11)17-14(18)6-5-12-7-9-15-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,16,17,18)
InChIKeyXMSOQNYKMNFNLZ-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide (CID 46480468) is N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide is Cc1cccc(NC(=O)CCc2ccncc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The InChIKey is XMSOQNYKMNFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-3-2-4-13(16-11)17-14(18)6-5-12-7-9-15-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide has a molecular weight of 241.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 46480468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).